4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde Traditional Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O

InChI

InChI=1S/C17H25N3O5S2/c21-15-18-11-13-20(14-12-18)27(24,25)17-7-5-16(6-8-17)26(22,23)19-9-3-1-2-4-10-19/h5-8,15H,1-4,9-14H2